Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-

Base Information

Chemical Name:Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-
CAS No.:137346-52-2
Molecular Formula:C₂₀H₂₂N₂O₃
Molecular Weight:338.406
Hs Code.:
DSSTox Substance ID:DTXSID901124640

Synonyms:DTXSID901124640;Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-;137346-52-2

Suppliers and Price of Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:338.16304257
Heavy Atom Count:25
Complexity:462

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1NC(=O)C2CCCN2CC3=CC=CC=C3
Isomeric SMILES:COC(=O)C1=CC=CC=C1NC(=O)[C@@H]2CCCN2CC3=CC=CC=C3

Technology Process of Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-

There total 5 articles about Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 50.0%

: 31795-93-4
N-benzyl-L-proline

: 134-20-3
2-carbomethoxyaniline

: 137346-52-2
(S)-2-N-(N'-benzylprolyl)aminobenzoic acid

Guidance literature:: In dichloromethane; at 20 ℃; for 12h;
DOI:10.1039/d0cc02223c

Reference yield:

: 31795-93-4
N-benzyl-L-proline

: 137346-52-2
(S)-2-N-(N'-benzylprolyl)aminobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / CH₂Cl₂

2: CH₂Cl₂ / 5 h / 20 °C

With thionyl chloride; In dichloromethane;
DOI:10.1007/BF00961232

Reference yield:

: 147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7
L-proline

: 137346-52-2
(S)-2-N-(N'-benzylprolyl)aminobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium hydroxide / chloroform / 12 h / 40 °C

2: dichloromethane / 12 h / 20 °C

With potassium hydroxide; In dichloromethane; chloroform;
DOI:10.1039/d0cc02223c